Wedeloside
TL;DR: Wedeloside (CAS 74686-30-9) is a chemical compound with molecular formula C40H55NO13 and molecular weight 757.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13,15-dihydroxy-7-[5-hydroxy-6-(hydroxymethyl)-3-(3-methylbutanoylamino)-4-(3-phenylpropanoyloxy)oxan-2-yl]oxy-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5,5-dicarboxylic acid
Also Known As: Wedeloside, Wedeliatoxin, 13,15-dihydroxy-7-[5-hydroxy-6-(hydroxymethyl)-3-(3-methylbutanoylamino)-4-(3-phenylpropanoyloxy)oxan-2-yl]oxy-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5,5-dicarboxylic acid, Kaur-16-ene-18,19-dioic acid, 2-((2-deoxy-2-((3-methyl-1-oxobutyl)amino)-3-O-(1-oxo-3-phenylpropyl)-beta-D-glucopyranosyl)oxy)-13,15-dihydroxy-, (2beta)-, Kaur-16-ene-18,19-dioic acid, 2-((2-deoxy-2-((3-methyl-1-oxobutyl)amino)-3-O-(1-oxo-3-phenylpropyl)-beta-D-glucopyranosyl)oxy)-13,15-dihydroxy-, (2beta,15alpha)-
| Molecular Formula | C40H55NO13 |
|---|---|
| Molecular Weight | 757.37 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 229.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 13 |
| Exact Mass | 757.3674 |
| Heavy Atoms | 54 |
| Complexity | 1450.0 |
Chemical Identifiers
| CAS Number | 74686-30-9 |
|---|---|
| SMILES | CC(C)CC(=O)NC1C(C(C(OC1OC2CC3(C4CCC5(CC4(CCC3C(C2)(C(=O)O)C(=O)O)C(C5=C)O)O)C)CO)O)OC(=O)CCC6=CC=CC=C6 |
| InChIKey | KORXNOWCVVACSW-UHFFFAOYSA-N |
Product Overview
Wedeloside (CAS 74686-30-9), with molecular formula C40H55NO13 and molecular weight 757.37 g/mol. IUPAC: 13,15-dihydroxy-7-[5-hydroxy-6-(hydroxymethyl)-3-(3-methylbutanoylamino)-4-(3-phenylpropanoyloxy)oxan-2-yl]oxy-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5,5-dicarboxylic acid.
Chemical Property Profile of Wedeloside
Property Insights of Wedeloside
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Wedeloside. The TPSA of 229.0 Ų indicates high polarity, suggesting Wedeloside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Wedeloside has 7 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Wedeloside?
The CAS number of Wedeloside is 74686-30-9.
What is the molecular formula of Wedeloside?
The molecular formula of Wedeloside is C40H55NO13.
What is the molecular weight of Wedeloside?
The molecular weight of Wedeloside is 757.37 g/mol.
Where can I buy Wedeloside?
You can request a quote for Wedeloside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Wedeloside?
Yes, KEHONG BIO provides custom synthesis services for Wedeloside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.